Short CV
Antonio Lupia was born in Catanzaro, Italy, on March 7, 1989. He earned his degree in Pharmacy in 2015 from the University “Magna Græcia” of Catanzaro, defending an experimental thesis in computational chemistry focused on identifying selective bioactive ligands for protein tyrosine phosphatase 1B. During this period, he conducted research at the Molecular Design Lab of the Freie Universität Berlin. In 2019, he received his PhD in Life Sciences from the University “Magna Græcia” of Catanzaro, with a thesis on molecular modeling of epitopes recognized by neoplastic B-cells in Chronic Lymphocytic Leukemia (CLL), and was awarded the Paul Ehrlich Euro-PhD Award. He subsequently held postdoctoral positions at the University of Naples “Federico II” and completed a Second-Level Master’s Degree in Clinical Experimentation at Luiss Business School, focusing on regulatory, managerial, and operational aspects of clinical trials.
He is currently a Researcher (RTDA) at the University of Cagliari (CADDLab), where he also teaches protein modeling. His academic experience includes international research and teaching mobility as a Visiting Researcher at the University of Porto and as a visiting lecturer at the Freie Universität Berlin. He holds the National Scientific Habilitation (ASN) for the position of Associate Professor in Medicinal Chemistry (Chem-07/A).

The scientific interests concern the application of computational methods, including Pharmacophore, Molecular Docking, 3D-QSAR, Molecular Dynamics, and Virtual Screening techniques, as well as a great interest in the study and application of processes based on Machine Learning (ML) to investigate the drug-receptor interactions, design and lead-optimisation of potential drugs.

Antonio is part of the "Design, synthesis and extraction of bioactive compounds" team, where the research lines include:
1. Identification of new molecules with antiviral activity (targeting HIV-RT, EBOV VP35 and VP24, viral helicases from Coronaviruses and Flaviviruses, Flavivirus proteases), antitumor activity (particularly targeting kinases, hCA IX and XII, angiogenesis), antifungal and anti-inflammatory activity (COX-2, IL-6, MCP-1, FAAH), activity on CB2 receptors, opioid receptors, multi-target action, and for the treatment of neurodegenerative diseases.
2. Synthesis and semi-synthesis of organic molecules with potential pharmacological activity.
3. Application of Computer-Aided Drug Design (CADD) and virtual screening approaches for the identification of new compounds, Structure-Activity Relationship (SAR) studies, and prediction of drug-like (ADMET) properties.
4. Application of advanced chemoinformatics protocols and AI-driven data mining for pharmaceutical research and drug design.
5. Identification and structural elucidation of bioactive compounds from higher plants.
6. Study of the mechanism of action of biologically active organic compounds
Antonio has collaborated with prestigious international research teams both in research-related Projects and as part of the Organizer Committee of national/international meetings.

All this underlines high flexibility and team-based workability chiefly in dynamic and changing circumstances, but always with a remarkable scientific curiosity.

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Experiences

Dal 26/06/2024 al 26/06/2035
National Scientific Habilitation (ASN) 2023-2025
 03/D1 - II Fascia

 

01/03/2023 - Present
Researcher (RTDA)
Computer Aided Drug Design Group (CADDLab) - University of Cagliari - UNICA

 

From 20-01-2024 - present
Teacher
Module of protein modeling (CFU 2+1)
MASTER DEGREE COURSE: CELLULAR AND MOLECULAR BIOLOGY Curriculum: Curriculum Advanced cellular studies (coorte: 2023)
[BF/0034/EN] BIOINFORMATICS 
LINK

 

from 20-01-2024 to 26-01-2024
Fellowship - Visiting Researcher 
University of Porto, Faculty of Sciences, Department of Chemistry and Biochemistry
Prof. Fernanda Borges

 

From 13-02-2024 to 25-01-2024
Staff Mobility for Teaching - MOSTA
Freie Universität Berlin - Institut für Pharmazie, Berlin
Prof. Gherard Wolber

 

16/12/2022
Master Universitario di II livello – Luiss Business School
Master in Management della Filiera della Salute
Major in Sperimentazione Clinica: aspetti regolatori, gestionali, operativi
Supervisor Dott.re Gianfranco De Feo, Dirigente della Direzione Scientifica I.N.T. Fondazione G. Pascale (Napoli)
Dott.re Fabrizio Galliccia, Dirigente di I livello delle professionalità sanitarie – Ispettore Senior GCP presso AIFA.

From 01-10-2022 to 28-02-2023
Postdoctoral Research  - CHEM-07/A Chimica farmaceutica (ex CHIM/08)
Università degli Studi di Napoli “Federico II”
Scientific Director Prof. Bruno Catalanotti

From 01-10-2021 to 30-09-2022
Postdoctoral Research  - CHEM-07/A Chimica farmaceutica (ex CHIM/08)
Università degli Studi di Napoli “Federico II”
Scientific Director Prof. Vittorio Limongelli

Dal 01-08-2019 al 31-03-2021
Researcher and co-founder of the Net4Science srl (N4S) academic spinoff. 
c/o Università “Magna Græcia” di Catanzaro
CEO spinoff Prof. Francesco Ortuso
PI Prof. Stefano Alcaro

05/04/2019
PhD degree
Title thesis:
Molecular modelling of epitopes recognised by neoplastic B-cells in Chronic Lymphocytic Leukemia (CLL)

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Awards

• Paul Ehrlich Euro-PhD Award (www.pehrlichmedchem.eu)
• ANGI Award 2020 – “Associazione Nazionale Giovani Innovatori”

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Additional Information:

• Researchgate
• Linkedin 
• ORCID

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Education

16/12/2022 - Master's Degree in “Management della Filiera della Salute – Major in Sperimentazione Clinica: aspetti regolatori, gestionali, operative” – Luiss Business School
05/04/2019 - PhD in Life Science
18/12/2015 - Licence to lawfully engage in professional practice (ID-Card: 1795)
22/10/2015 - Degree in Pharmacy
11/07/2008 - Certificate of Classical Maturity

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Membership
• Member of “Società Chimica Italiana (SCI)” - Divisione di Chimica Farmaceutica e Chimica degli Alimenti, ID-Card: 23478
• Member of the Organizer Committee of National/International meetings

Skill Highlights
• Knowledge of computational techniques in the Drug Discovery process
• Excellent command of molecular modelling software (Schrödinger suite, LigandScout, AMBER, Autodock, FLAP, KNIME)
• Good knowledge of programming languages (Python, PHP, JavaScript, and HTML editing)
• Excellent skills with Adobe Illustrator, CyberLink Power Director and others related to Photo/Video/Music editing
• Excellent command of Microsoft Windows OS, Linux OS and Mac OS

Soft skills:
• Professionalism, coherence, and respect
• Creativity and attention to detail
• High flexibility and adaptation in a new context
• High problem-solving skills, motivation, and goal bearings